REMARK  Name = BDB065318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.515  -0.277  -0.658  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.830  -0.713  -1.941  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.914  -0.247  -2.578  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.032  -1.658  -2.574  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.104  -2.153  -1.927  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.460  -1.691  -0.647  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.631  -0.753  -0.011  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  16
ATOM      8  C   LIG    1       -5.151   2.020  -0.636  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1       -4.899   1.424   0.749  0.00  0.00    +0.104 C 
ATOM     10  N   LIG    1       -5.380   0.059   0.820  0.00  0.00    -0.312 N 
ATOM     11  C   LIG    1       -4.583  -1.045   0.706  0.00  0.00    +0.151 A 
ATOM     12  N   LIG    1       -5.334  -2.118   0.836  0.00  0.00    -0.133 NA
ATOM     13  N   LIG    1       -6.633  -1.702   1.041  0.00  0.00    -0.138 NA
ATOM     14  C   LIG    1       -3.113  -0.967   0.505  0.00  0.00    +0.184 C 
ATOM     15  N   LIG    1       -2.650   0.426   0.375  0.00  0.00    -0.288 N 
ATOM     16  C   LIG    1       -1.343   0.742   0.005  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1       -0.822   1.835   0.217  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -6.641  -0.388   1.033  0.00  0.00    +0.225 A 
ATOM     19  C   LIG    1       -3.406   1.447   1.111  0.00  0.00    +0.133 C 
ENDBRANCH   1  16
BRANCH   6  20
ATOM     20  C   LIG    1        2.686  -2.251   0.041  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.513  -1.207   0.781  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1        4.388  -0.275   0.023  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        5.111   0.659   0.762  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        5.957   1.575   0.124  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        6.078   1.554  -1.264  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.357   0.623  -2.010  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.979   0.674   2.228  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1        5.603   1.471   2.919  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        4.124  -0.256   2.767  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1        4.020  -0.258   3.777  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1        4.513  -0.292  -1.371  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1        3.403  -1.179   2.077  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 3